3RZP
Crystal Structure of the C194A mutant of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with preQ1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97937 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.316, 71.192, 71.463 |
| Unit cell angles | 110.43, 119.22, 99.33 |
Refinement procedure
| Resolution | 35.024 - 2.000 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bp1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.217 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_725)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 68972 | |
| <I/σ(I)> | 8.7 | 1.9 |
| Completeness [%] | 95.8 | 93.2 |
| Redundancy | 1.8 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Sodium acetate, 0.1 M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
